Our planet suffers from the negative impacts of climate change and water scarcity, and we need a sustainable source of drinking water to survive. Fortunately, the atmosphere can provide over 100,000 trillion liters of water that can be harvested by atmospheric water harvesters. The performance of such harvesters depends on the material used for adsorbing water from the atmosphere, and one of the best classes of materials for the adsorption task is Metal-Organic Frameworks (MOFs). But there are many MOFs available, and many MOFs degrade when exposed to water. So, which MOF is the best candidate for application to atmospheric water harvesting? This project answers it by understanding the water adsorption/desorption processes using quantum chemistry calculations, thermodynamics analysis and studying water-MOF reaction kinetics. Then, it uses machine learning to develop a universal model for choosing a water-resistant MOF with high water uptake capacity.

2022

2025